(2S)-2-(2-methylpropanoylamino)-N-(2-phenylethyl)pentanediamide
| Internal ID | 2115d8b5-2c21-4326-9074-3cf5173ae4d8 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > N-acyl-alpha amino acids and derivatives |
| IUPAC Name | (2S)-2-(2-methylpropanoylamino)-N-(2-phenylethyl)pentanediamide |
| SMILES (Canonical) | CC(C)C(=O)NC(CCC(=O)N)C(=O)NCCC1=CC=CC=C1 |
| SMILES (Isomeric) | CC(C)C(=O)N[C@@H](CCC(=O)N)C(=O)NCCC1=CC=CC=C1 |
| InChI | InChI=1S/C17H25N3O3/c1-12(2)16(22)20-14(8-9-15(18)21)17(23)19-11-10-13-6-4-3-5-7-13/h3-7,12,14H,8-11H2,1-2H3,(H2,18,21)(H,19,23)(H,20,22)/t14-/m0/s1 |
| InChI Key | NDKMKIMAFUMVND-AWEZNQCLSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C17H25N3O3 |
| Molecular Weight | 319.40 g/mol |
| Exact Mass | 319.18959167 g/mol |
| Topological Polar Surface Area (TPSA) | 101.00 Ų |
| XlogP | 1.10 |
| There are no found synonyms. |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 99.27% | 98.95% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 98.22% | 90.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.80% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.63% | 91.11% |
| CHEMBL5701 | Q9H2K8 | Serine/threonine-protein kinase TAO3 | 91.05% | 96.67% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 89.76% | 100.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 89.57% | 95.50% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.43% | 99.17% |
| CHEMBL5939 | Q9NZ08 | Endoplasmic reticulum aminopeptidase 1 | 88.77% | 100.00% |
| CHEMBL5261 | Q7L7X3 | Serine/threonine-protein kinase TAO1 | 88.24% | 89.33% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 87.63% | 97.23% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 87.45% | 82.69% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.16% | 95.56% |
| CHEMBL5028 | O14672 | ADAM10 | 86.01% | 97.50% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 84.45% | 90.20% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 82.13% | 93.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.03% | 94.73% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 81.75% | 98.33% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.50% | 90.71% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.39% | 96.00% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
To see more specific details click the taxa you are interested in.
| Croton humilis |
| PubChem | 163015564 |
| LOTUS | LTS0070330 |
| wikiData | Q105177584 |